ALFAAESAR-ZINC02510141

MMsINC code: MMs00023270

• Type: Neutral
• Formula: C₁₀H₂₄N+
• SMILES: [NH+](CCCC)(CCCC)CC
• InChI: InChI=1/C10H23N/c1-4-7-9-11(6-3)10-8-5-2/h4-10H2,1-3H3/p+1

Potential Energy
Epot(MMFF94)=6.89655 kcal/mol

MOE's Descriptors

Physical Properties

• Molecular Weight: 158.309 g/mol
• logS: -1.87965
• SlogP: 1.4914
• Reactive groups: 0

Topological Properties

• Globularity: 0.106389
• Sterimol/B1: 2.4191
• Sterimol/B2: 2.66938
• Sterimol/B3: 3.74093
• Sterimol/B4: 7.63203
• Sterimol/L: 13.1754

Surface and Volume Properties

• Accessible surface: 440.884
• Positive charged surface: 360.83
• Negative charged surface: 80.0541
• Volume: 208
• Hydrophobic surface: 362.63
• Hydrophilic surface: 78.254

Pharmacophoric Properties

• Hydrogen bond donors: 0
• Hydrogen bond acceptors: 0
• Acid groups: 0
• Basic groups: 1
• Chiral centers: 0

Drug- and Lead-like Properties

• Lipinski's drug-like rule: 1
• Violations of Lipinski's rule: 0
• Oprea's lead like rule: 1